Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 16 results

Search term: SBSXXCCMIWEPEE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21864885

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
C28H48O4448.67831210000
10378882

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
C28H48O4448.6783121001617
21142762

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3
C28H48O4448.67832200
8726850

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23?,25-,26+,27-,28-/m1/s1
C28H48O4448.67832100
8726851

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23?,25+,26-,27-,28-/m1/s1
C28H48O4448.67832100
8774977

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18-,19+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
C28H48O4448.67832100
9012750

12 of 12 defined stereocentres - 12/12 defined

Non-standard isotope
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1/i14T2,23T
C28H45T3O4454.70262200
9288255

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18?,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
C28H48O4448.67832100
10251772

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23-,25-,26+,27-,28-/m1/s1
C28H48O4448.67831100
10251773

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23-,25+,26-,27-,28-/m1/s1
C28H48O4448.67831100
30792028

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1
C28H48O4448.67831100
30792030

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21?,22-,23+,25+,26+,27+,28+/m0/s1
C28H48O4448.67831100
107445320

12 of 12 defined stereocentres - 12/12 defined

Non-standard isotope
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1/i1D3,2D3
C28H42D6O4454.71531200
111313890

12 of 12 defined stereocentres - 12/12 defined

Non-standard isotope
InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m1/s1/i1D3,2D3
C28H42D6O4454.71531100

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